methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate

C17H13N3O5 — CID 15458375

IUPACmethyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)n1
InChIInChI=1S/C17H13N3O5/c1-24-16-12(18)15(22)13-8(14(16)21)6-7-10(20-13)9-4-3-5-11(19-9)17(23)25-2/h3-7H,18H2,1-2H3
InChIKeyPMYYPYYHACQMIU-UHFFFAOYSA-N
MW339.31 g/mol
LogP1.13
Rot. Bonds3

About methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate

methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate (PubChem CID 15458375) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate
PubChem CID15458375
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Namemethyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)n1
InChIInChI=1S/C17H13N3O5/c1-24-16-12(18)15(22)13-8(14(16)21)6-7-10(20-13)9-4-3-5-11(19-9)17(23)25-2/h3-7H,18H2,1-2H3
InChIKeyPMYYPYYHACQMIU-UHFFFAOYSA-N
XLogP1.13
TPSA121.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate (CID 15458375) is methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate is COC(=O)c1cccc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)n1.
What is the InChIKey of methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate?
The InChIKey is PMYYPYYHACQMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-24-16-12(18)15(22)13-8(14(16)21)6-7-10(20-13)9-4-3-5-11(19-9)17(23)25-2/h3-7H,18H2,1-2H3.
What are the key properties of methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate?
methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate has a molecular weight of 339.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 15458375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).